(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine

C19H22F3N3S — CID 153435358

IUPAC(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F
InChIInChI=1S/C19H22F3N3S/c1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22/h7-12,24H,2-6,23H2,1H3/b15-12-,24-17-
InChIKeyNWDOQUWDISEHQI-XWUHJDKXSA-N
MW381.47 g/mol
LogP5.81
Rot. Bonds8

About (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine

(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine (PubChem CID 153435358) has the molecular formula C19H22F3N3S and a molecular weight of 381.47 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine
PubChem CID153435358
Molecular FormulaC19H22F3N3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F
InChIInChI=1S/C19H22F3N3S/c1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22/h7-12,24H,2-6,23H2,1H3/b15-12-,24-17-
InChIKeyNWDOQUWDISEHQI-XWUHJDKXSA-N
XLogP5.81
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 153435197
[2-[4-formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 153435265
1,1,1-trifluoro-4-imino-4-(4-nonyl-2-pyridinyl)but-2-en-2-amine
CID 140687388
2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
CID 140687475
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
3-hexadecyl-2-phenylthiophene
CID 101022658
3-dodecyl-2-naphthalen-2-ylthiophene
CID 173129143
2-(4-bromophenyl)-3-hexylthiophene
CID 102310139
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
5-[6-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-3-pyridinyl]-1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)benzene-1,3-diamine
CID 140701017
2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-dimethyl-4-pentyl-6-[(Z)-4,4,4-trifluoro-3-imino-1-nitrosobut-1-enyl]pyridin-3-amine
CID 161148396

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine (CID 153435358) is (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine is [H]/N=C(/C=C(\N)c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine?
The InChIKey is NWDOQUWDISEHQI-XWUHJDKXSA-N. The full InChI is InChI=1S/C19H22F3N3S/c1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22/h7-12,24H,2-6,23H2,1H3/b15-12-,24-17-.
What are the key properties of (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine?
(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine has a molecular weight of 381.47 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine is sourced from PubChem (CID 153435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).